3-[1-[4-(methylamino)-3-nitro-phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(methylamino)-3-nitro-phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(methylamino)-3-nitro-benzoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(methylamino)-3-nitro-benzoyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-21-15-7-6-13(12-18(15)25(28)29)19(26)23-10-8-14(9-11-23)24-17-5-3-2-4-16(17)22-20(24)27/h2-7,12,14,21H,8-11H2,1H3,(H,22,27)